methyl 2-amino-5-bromo-4-fluoropyridine-3-carboxylate

C7H6BrFN2O2 — CID 130140440

IUPACmethyl 2-amino-5-bromo-4-fluoropyridine-3-carboxylate
SMILESCOC(=O)c1c(N)ncc(Br)c1F
InChIInChI=1S/C7H6BrFN2O2/c1-13-7(12)4-5(9)3(8)2-11-6(4)10/h2H,1H3,(H2,10,11)
InChIKeyLYRLXKRRZHWNHL-UHFFFAOYSA-N
MW249.04 g/mol
LogP1.35
Rot. Bonds1

About methyl 2-amino-5-bromo-4-fluoropyridine-3-carboxylate

methyl 2-amino-5-bromo-4-fluoropyridine-3-carboxylate (PubChem CID 130140440) has the molecular formula C7H6BrFN2O2 and a molecular weight of 249.04 g/mol. Its IUPAC name is methyl 2-amino-5-bromo-4-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-bromo-4-fluoropyridine-3-carboxylate
PubChem CID130140440
Molecular FormulaC7H6BrFN2O2
Molecular Weight249.04 g/mol
Exact Mass247.96
IUPAC Namemethyl 2-amino-5-bromo-4-fluoropyridine-3-carboxylate
SMILESCOC(=O)c1c(N)ncc(Br)c1F
InChIInChI=1S/C7H6BrFN2O2/c1-13-7(12)4-5(9)3(8)2-11-6(4)10/h2H,1H3,(H2,10,11)
InChIKeyLYRLXKRRZHWNHL-UHFFFAOYSA-N
XLogP1.35
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.04
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-5-bromo-3-[(E)-2-ethoxyethenyl]pyridine-4-carboxylate
CID 169206194
methyl 2,4-diamino-5-(difluoromethyl)pyridine-3-carboxylate
CID 134683512
methyl 2-amino-5-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 130106593
methyl 2-amino-5-(difluoromethyl)-4-methylpyridine-3-carboxylate
CID 130106595
methyl 2-amino-5-bromo-3-chloro-6-fluorobenzoate
CID 130486593
2-amino-5-bromo-4-fluoropyridin-3-ol
CID 21436673
methyl 2-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 134661869
ethane;methyl 3-bromo-2-fluoro-6-methylbenzoate
CID 145446517
methyl 2-bromo-5-(difluoromethyl)-3-fluoropyridine-4-carboxylate
CID 130109765
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
methyl 2-(aminomethyl)-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate
CID 134675412
methyl 5-bromo-2-(difluoromethyl)-3-iodopyridine-4-carboxylate
CID 134684442

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-bromo-4-fluoropyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-5-bromo-4-fluoropyridine-3-carboxylate (CID 130140440) is methyl 2-amino-5-bromo-4-fluoropyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-bromo-4-fluoropyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-bromo-4-fluoropyridine-3-carboxylate is COC(=O)c1c(N)ncc(Br)c1F.
What is the InChIKey of methyl 2-amino-5-bromo-4-fluoropyridine-3-carboxylate?
The InChIKey is LYRLXKRRZHWNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN2O2/c1-13-7(12)4-5(9)3(8)2-11-6(4)10/h2H,1H3,(H2,10,11).
What are the key properties of methyl 2-amino-5-bromo-4-fluoropyridine-3-carboxylate?
methyl 2-amino-5-bromo-4-fluoropyridine-3-carboxylate has a molecular weight of 249.04 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-bromo-4-fluoropyridine-3-carboxylate is sourced from PubChem (CID 130140440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).